SCHEMBL7793961

SCHEMBL7793961

COc1cc(F)cc(C(=O)NC[C@H]2CC[C@@H](NCC(=O)N3CCOCC3(C)C)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 6/20 0.40
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
NPC1 O15118 1/20 0.38
MCHR1 Q99705 2/20 0.37
PIK3CB P42338 1/20 0.37
TSHR P16473 1/20 0.37
PRMT5 O14744 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4274803 1.00 CACNA1H (0.40) CACNA1HHPGDKMT2APOLBALDH1A1
SCHEMBL4274805 1.00 CACNA1H (0.40) CACNA1HHPGDKMT2APOLBALDH1A1
SCHEMBL7794321 0.88 CACNA1H (0.53) CACNA1HCACNA1GCACNA1I
SCHEMBL4280042 0.88 CACNA1H (0.53) CACNA1HCACNA1GCACNA1I
SCHEMBL8372258 0.88 CACNA1H (0.41) CACNA1HMCHR1PIK3CBPRMT5CACNA1G
SCHEMBL4280037 0.88 CACNA1H (0.53) CACNA1HCACNA1GCACNA1I
SCHEMBL20328169 0.88 POLB (0.38) CACNA1HHPGDKMT2APOLBALDH1A1
SCHEMBL7800297 0.87 KMT2A (0.41) CACNA1HHPGDKMT2APOLBALDH1A1
SCHEMBL4271298 0.87 KMT2A (0.41) CACNA1HHPGDKMT2APOLBALDH1A1
SCHEMBL4271293 0.87 KMT2A (0.41) CACNA1HHPGDKMT2APOLBALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210128537-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF PRAXIS PREC MEDICINES INC (US) 2021-05-06 US disclosed
US-20210038589-A1 USES, COMPOSITIONS AND METHODS FISAHN ANDRE (SE) 2021-02-11 US disclosed
WO-2018118101-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2018-06-28 WO disclosed
US-20090298834-A1 4-(AMINOMETHYL)CYCLOHEXANAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-12-03 US disclosed
US-20090298834-A1 4-(AMINOMETHYL)CYCLOHEXANAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-12-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210038589-A1 USES, COMPOSITIONS AND METHODS APP, CACNA1G, CACNA1B CACNA1H 11/4885HPGD 1508/4885KMT2A 4104/4885
US-20210128537-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF CACNA1G, CACNA1H, CACNA1I CACNA1H 2/4885HPGD 3490/4885KMT2A 1538/4885
US-20090298834-A1 4-(AMINOMETHYL)CYCLOHEXANAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNA1H CACNA1H 3/4885HPGD 2019/4885KMT2A 1738/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.